N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide

C10H16N2O2 — CID 107990558

IUPACN-(2-amino-4-ethoxycyclobutyl)but-2-ynamide
SMILESCC#CC(=O)NC1C(N)CC1OCC
InChIInChI=1S/C10H16N2O2/c1-3-5-9(13)12-10-7(11)6-8(10)14-4-2/h7-8,10H,4,6,11H2,1-2H3,(H,12,13)
InChIKeyVYJGOTDFGVOKFY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.37
Rot. Bonds3

About N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide

N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide (PubChem CID 107990558) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)but-2-ynamide
PubChem CID107990558
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)but-2-ynamide
SMILESCC#CC(=O)NC1C(N)CC1OCC
InChIInChI=1S/C10H16N2O2/c1-3-5-9(13)12-10-7(11)6-8(10)14-4-2/h7-8,10H,4,6,11H2,1-2H3,(H,12,13)
InChIKeyVYJGOTDFGVOKFY-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea
CID 79153530
N-(2-amino-4-ethoxycyclobutyl)-3-ethoxypropanamide
CID 66197212
N-(2-amino-4-ethoxycyclobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475604
N-(2-amino-4-ethoxycyclobutyl)-2-propoxyacetamide
CID 107940046
1-(2-amino-4-ethoxycyclobutyl)-3-propylurea
CID 66197437
N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide
CID 66197038
N-(2-amino-4-ethoxycyclobutyl)cyclooctanecarboxamide
CID 66194926
cyclopentyl N-(2-amino-4-ethoxycyclobutyl)carbamate
CID 112738608
N-(2-amino-4-ethoxycyclobutyl)octanamide
CID 66196066
N-(2-amino-4-ethoxycyclobutyl)oxolane-2-carboxamide
CID 66195111
N-(2-amino-4-ethoxycyclobutyl)-2-cyclohexylacetamide
CID 66195496
N-(2-amino-4-ethoxycyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209582

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide (CID 107990558) is N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide is CC#CC(=O)NC1C(N)CC1OCC.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide?
The InChIKey is VYJGOTDFGVOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-9(13)12-10-7(11)6-8(10)14-4-2/h7-8,10H,4,6,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide?
N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide has a molecular weight of 196.25 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide is sourced from PubChem (CID 107990558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).